CID 3035215

2,4-dinitrofluorobenzene sulfonic acid

Structural Information

Molecular Formula
C6H3FN2O7S
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)OF
InChI
InChI=1S/C6H3FN2O7S/c7-16-17(14,15)6-2-1-4(8(10)11)3-5(6)9(12)13/h1-3H
InChIKey
PGTKZDGTYHMWNK-UHFFFAOYSA-N
Compound name
fluoro 2,4-dinitrobenzenesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

120
References

0
Patents

265.9645 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.971776 147.4
[M+Na]+ 288.953718 154.2
[M-H]- 264.957224 150.3
[M+NH4]+ 283.998323 161.5
[M+K]+ 304.927658 144.2
[M+H-H2O]+ 248.961760 149.1
[M+HCOO]- 310.962701 167.1
[M+CH3COO]- 324.978351 179.2
[M+Na-2H]- 286.939166 156.8
[M]+ 265.96395142 146.0
[M]- 265.96504858 146.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.